1-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]propan-1-one

C10H17F3N2O — CID 123570266

IUPAC1-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O/c1-2-9(16)15-7-5-14(6-8-15)4-3-10(11,12)13/h2-8H2,1H3
InChIKeyJOSUXNIMCMWWOR-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.49
Rot. Bonds3

About 1-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]propan-1-one

1-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]propan-1-one (PubChem CID 123570266) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]propan-1-one
PubChem CID123570266
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name1-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O/c1-2-9(16)15-7-5-14(6-8-15)4-3-10(11,12)13/h2-8H2,1H3
InChIKeyJOSUXNIMCMWWOR-UHFFFAOYSA-N
XLogP1.49
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]propan-1-one (CID 123570266) is 1-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(CCC(F)(F)F)CC1.
What is the InChIKey of 1-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]propan-1-one?
The InChIKey is JOSUXNIMCMWWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-2-9(16)15-7-5-14(6-8-15)4-3-10(11,12)13/h2-8H2,1H3.
What are the key properties of 1-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]propan-1-one?
1-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]propan-1-one has a molecular weight of 238.25 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 123570266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).